⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Cyclopentene SCHEMBL27692699 | 0.93 | — | — | |
| Cyclohexene SCHEMBL20838543 | 0.88 | FFAR3 (0.32) | — | |
| Cyclohexene SCHEMBL20583950 | 0.82 | HSD17B10 (0.39) | — | |
| Cyclohexene SCHEMBL11698794 | 0.81 | — | — | |
| Cyclohexene SCHEMBL4683470 | 0.81 | — | — | |
| Cyclohexene SCHEMBL3786519 | 0.81 | — | — | |
| Cyclohexene SCHEMBL11593881 | 0.80 | ALDH1A1 (0.32) | — | |
| Cyclohexene SCHEMBL2937014 | 0.80 | TDP1 (0.35) | — | |
| Cyclohexene SCHEMBL8664894 | 0.80 | TDP1 (0.35) | — | |
| Cyclohexene SCHEMBL1999560 | 0.79 | LMNA (0.43) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4281002-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1981-07-28 | — | — | US | disclosed |